data_AVS_bmrb_pdb_report_10080 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10080 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 10080 1 1 1 1 49 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 10080 1 1 1 1 49 TRP C 175.669 . 176.1 1.89 8.1961e-01 10080 1 1 1 1 49 TRP CA 57.549 . 57.71 2.65 9.5155e-01 10080 1 1 1 1 49 TRP CB 29.126 . 30.16 2.19 6.3682e-01 10080 1 1 1 1 49 TRP CD1 130.351 M 126.16 1.76 1.7254e-02 10080 1 1 1 1 49 TRP CE3 122.079 . 120.38 1.5 2.5735e-01 10080 1 1 1 1 49 TRP CZ2 113.684 . 114.19 1.09 6.4249e-01 10080 1 1 1 1 49 TRP CZ3 122.127 . 121.57 1.76 7.5164e-01 10080 1 1 1 1 49 TRP CH2 125.407 . 123.75 1.34 2.1625e-01 10080 1 1 1 1 49 TRP H 7.202 . 8.35 0.84 1.7173e-01 10080 1 1 1 1 49 TRP HA 4.568 . 4.74 0.55 7.5449e-01 10080 1 1 1 1 49 TRP HB2 3.704 . 3.22 0.36 1.7880e-01 10080 1 1 1 1 49 TRP HB3 3.438 . 3.18 0.36 4.7358e-01 10080 1 1 1 1 49 TRP HD1 7.770 . 7.16 0.34 7.2795e-02 10080 1 1 1 1 49 TRP HE1 10.710 . 10.13 0.53 2.7381e-01 10080 1 1 1 1 49 TRP HE3 7.603 . 7.17 1.03 6.7420e-01 10080 1 1 1 1 49 TRP HZ2 7.055 . 7.14 0.89 9.2391e-01 10080 1 1 1 1 49 TRP HH2 7.219 . 6.82 0.94 6.7122e-01 10080 1 1 1 1 49 TRP N 122.205 . 121.87 4.58 9.4169e-01 10080 1 1 1 1 49 TRP NE1 128.690 . 129.48 2.56 7.5763e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 10080 1 1 1 1 49 TRP CYS 0.56 10080 1 1 1 1 49 TRP HIS 0.24 10080 1 1 1 1 49 TRP TRP 0.19 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10080 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10080 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10080 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10080 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10080 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_